SCHEMBL4147109

SCHEMBL4147109

Cc1ccc(N2CC[N]CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 3/20 0.44
MAPT P10636 6/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 2/20 0.40
PHGDH O43175 2/20 0.39
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PANK3 Q9H999 1/20 0.37
RAB9A P51151 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12175957 0.83 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2HPGDMAPT
SCHEMBL13419183 0.81 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2HPGDMAPT
SCHEMBL5464896 0.81 ALDH1A1 (0.54) ALDH1A1LMNASMN1; SMN2HPGDMAPT
SCHEMBL2836561 0.81 MAPT (0.51) ALDH1A1LMNASMN1; SMN2HPGDMAPT
SCHEMBL1447764 0.81 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL12082405 0.80 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2HPGDMAPT
SCHEMBL1579039 0.79 GRM2 (0.46) ALDH1A1LMNASMN1; SMN2MAPTHTT
SCHEMBL13454967 0.79 LMNA (0.44) ALDH1A1LMNASMN1; SMN2HPGDMAPT
SCHEMBL3920957 0.79 HTR3A (0.55)
SCHEMBL9906943 0.79 ALDH1A1 (0.67) ALDH1A1LMNASMN1; SMN2HPGDHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ ALDH1A1 2931/4885LMNA 4184/4885SMN1; SMN2 4708/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ ALDH1A1 2931/4885LMNA 4184/4885SMN1; SMN2 4708/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.